SCHEMBL4422508

SCHEMBL4422508

CS(=O)(=O)c1ccc(F)c(C(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.44
CCR2 P41597 3/20 0.36
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PTK2B Q14289 1/20 0.33
ACLY P53396 1/20 0.33
BCAT2 O15382 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3525663 0.81 CA1 (0.44) FABP4
SCHEMBL3524188 0.81 FABP4 (0.41) FABP4PTK2BACLYCES2CES1
SCHEMBL17202404 0.81 VCAM1 (0.42) FABP4CCR2HTTALDH1A1ACLY
SCHEMBL4116177 0.80 ACLY (0.37) FABP4ACLYBCAT2MEN1KMT2A
SCHEMBL4122382 0.78 ACLY (0.44) FABP4ACLYMEN1KMT2A
SCHEMBL28686204 0.78 FABP4 (0.40) FABP4CCR2KMT2A
SCHEMBL8491731 0.78 CES2 (0.47) FABP4HTTBCAT2CES2CES1
SCHEMBL12225748 0.77 FABP4 (0.44) FABP4ALDH1A1
SCHEMBL4422315 0.76 FABP4 (0.41) FABP4HTTALDH1A1MEN1KMT2A
SCHEMBL12560651 0.76 LMNA (0.44) CCR2ALDH1A1CES2CES1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 FABP4 2182/4885CCR2 3570/4885HTT 445/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 FABP4 2182/4885CCR2 3570/4885HTT 445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.